ergo
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Functionality for computing a single 2-electron integral, for two given primitive Gaussian distributions. More...
#include <stdlib.h>
#include <math.h>
#include <stdio.h>
#include <errno.h>
#include <memory.h>
#include <time.h>
#include <stdarg.h>
#include "integrals_2el_single.h"
#include "pi.h"
#include "boysfunction.h"
#include "integrals_hermite.h"
Functions | |
static ergo_real | do_2e_integral_using_symb_info_h (const JK::ExchWeights &CAM_params, const DistributionSpecStruct *psi1, const DistributionSpecStruct *psi2, const IntegralInfo &integralInfo) |
ergo_real | do_2e_integral_using_symb_info (const JK::ExchWeights &CAM_params, const DistributionSpecStruct *psi1, const DistributionSpecStruct *psi2, const IntegralInfo &integralInfo) |
Functionality for computing a single 2-electron integral, for two given primitive Gaussian distributions.
ergo_real do_2e_integral_using_symb_info | ( | const JK::ExchWeights & | CAM_params, |
const DistributionSpecStruct * | psi1, | ||
const DistributionSpecStruct * | psi2, | ||
const IntegralInfo & | integralInfo | ||
) |
References do_2e_integral_using_symb_info_h().
Referenced by do_2e_integral_general(), and get_M().
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References DistributionSpecStruct::centerCoords, DistributionSpecStruct::coeff, DistributionSpecStruct::exponent, get_related_integrals_hermite(), monomial_info_struct::monomial_index_list, IntegralInfo::monomial_info, DistributionSpecStruct::monomialInts, IntegralInfo::multiply_by_hermite_conversion_matrix_from_left(), IntegralInfo::multiply_by_hermite_conversion_matrix_from_right(), monomial_info_struct::no_of_monomials_list, pi, and template_blas_sqrt().
Referenced by do_2e_integral_using_symb_info().